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DOE OSTI2020

Programmable topotaxis of magnetic rollers in time-varying fields

We discuss how spatially uniform, time-periodic magnetic fields can be designed to power and direct the migration of ferromagnetic spheres up (or down) local gradients in the topography of a solid substrate. Our results are based on a dynamical model that considers the time-varying magnetic torques on the particle and its motion through the fluid at low Reynolds number. We use both analytical theory and numerical simulation to design magnetic fields that maximize the migration velocity up (or down) an inclined plane. We show how “topotaxis” of spherical particles relies on differences in the hydrodynamic resistance to rotation about axes parallel and perpendicular to the plane. Importantly, the designed fields can drive multiple independent particles to move simultaneously in different directions as determined by gradients in their respective environments. Experiments on ferromagnetic spheres provide evidence for topotactic motions up inclined substrates. The ability to program the autonomous navigation of driven particles within anisotropic environments is relevant to the design of colloidal robots.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2008

Output-Adaptive Tetrahedral Cut-Cell Validation for Sonic Boom Prediction

A cut-cell approach to Computational Fluid Dynamics (CFD) that utilizes the median dual of a tetrahedral background grid is described. The discrete adjoint is also calculated, which permits adaptation based on improving the calculation of a specified output (off-body pressure signature) in supersonic inviscid flow. These predicted signatures are compared to wind tunnel measurements on and off the configuration centerline 10 body lengths below the model to validate the method for sonic boom prediction. Accurate mid-field sonic boom pressure signatures are calculated with the Euler equations without the use of hybrid grid or signature propagation methods. Highly-refined, shock-aligned anisotropic grids were produced by this method from coarse isotropic grids created without prior knowledge of shock locations. A heuristic reconstruction limiter provided stable flow and adjoint solution schemes while producing similar signatures to Barth-Jespersen and Venkatakrishnan limiters. The use of cut-cells with an output-based adaptive scheme completely automated this accurate prediction capability after a triangular mesh is generated for the cut surface. This automation drastically reduces the manual intervention required by existing methods.

Park, Michael A.↗

DOE OSTI2021

hr-Adaptivity for nonconforming high-order meshes with the target matrix optimization paradigm

In this study, we present an $hr$ -adaptivity framework for optimization of high-order meshes. This work extends the r -adaptivity method by Dobrev et al. (Comput Fluids, 2020), where we utilized the Target-Matrix Optimization Paradigm (TMOP) to minimize a functional that depends on each element’s current and target geometric parameters: element aspect-ratio , size , skew , and rotation . Since fixed mesh topology limits the ability to achieve the target size and aspect-ratio at each position, in this paper, we augment the r -adaptivity framework with nonconforming adaptive mesh refinement to further reduce the error with respect to the target geometric parameters. The proposed formulation, referred to as $hr$ -adaptivity, introduces TMOP-based quality estimators to satisfy the aspect-ratio target via anisotropic refinements and size target via isotropic refinements in each element of the mesh. The methodology presented is purely algebraic, extends to both simplices and hexahedra/quadrilaterals of any order, and supports nonconforming isotropic and anisotropic refinements in 2D and 3D. Using a problem with a known exact solution, we demonstrate the effectiveness of $hr$ -adaptivity over both r - and $h$ -adaptivity in obtaining similar accuracy in the solution with significantly fewer mesh nodes. We also present several examples that show that $hr$ -adaptivity can help satisfy geometric targets even when $r$ -adaptivity fails to do so, due to the topology of the initial mesh.

42 ENGINEERING↗

DOE OSTI2025

Tunable shear thickening, aging, and rejuvenation in suspensions of shape-memory-endowed liquid crystalline particles

The morphological features of particles, notably shape anisotropy, critically influence the rheological properties of dense suspensions, spanning both natural and engineered systems. This work explores the potential of using shape memory particles to dynamically regulate suspension fluid flow through controllable shape transformations. First, we synthesize shape-memory particles with programmable anisotropy from liquid crystal elastomers, such that the stiffness and shapes of the particles can be tuned by manipulating temperature. Our findings reveal that suspensions from such particles exhibit significant tunability in shear thickening behavior, transitioning from discontinuous shear thickening to a Newtonian-like response within a narrow temperature range of 60 ° C. This capability to modulate rheological responses in situ presents an approach for addressing processing challenges in many applications where control over flow behavior is paramount. Furthermore, we also show that suspensions composed of these anisotropic particles can undergo physical aging, and evolve into a glassy state. This state can be escaped upon activation of the shape memory effect. This reversibility underscores the potential for using such materials to engineer systems that can enter or come out of kinetic arrest by leveraging internal mechanical responses to external stimuli. The insights gained here not only broaden our understanding of the interplay between particle geometry and suspension dynamics but also pave the way for leveraging ensembles of stimuli-responsive objects to precisely control collective behaviors in many-body systems.

Science & Technology - Other Topics↗

DOE OSTI2025

Anisotropic phase stiffness in infinite-layer nickelates superconductors

In unconventional superconductors such as cuprates and iron pnictides and chalcogenides, phase stiffness—a measure of the energy cost associated with superconducting phase variations—governs the formation of superconductivity. Here we demonstrate a vector current technique enabling in-situ angle-resolved transport measurements to reveal anisotropic phase stiffness in infinite-layer nickelate superconductors. Pronounced anisotropy of in-plane resistance manifests itself in both normal and superconducting transition states, indicating crystal symmetry breaking. Remarkably, the electric conductivity of Nd 0.8 Sr 0.2 NiO 2 peaks at 125° between the direction of the current and crystal principal axis, but this angle evolves to 160° near zero-resistance temperature. Further measurements reveal that the phase stiffness maximizes along 160°, a direction distinct from the symmetry axis imposed by both electronic nematicity and the crystal lattice. Identical measurements conducted on a prototypical cuprate superconductor yield consistent results. By identifying the contrasting anisotropy between electron fluid and superfluid in both nickelates and cuprates, our findings provide clues for a unified framework for understanding unconventional superconductors.

Xu, Minyi [University of Electronic Science and Te↗

DOE OSTI2021

Correlation between mean transverse momentum and anisotropic flow in heavy-ion collisions

The correlation between the mean transverse momentum of outgoing particles, $\langle{p_t}\rangle$, and the magnitude of anisotropic flow, v n , has recently been measured in Pb+Pb collisions at the CERN Large Hadron Collider, as a function of the collision centrality. Here, we confirm the previous observation that event-by-event hydrodynamics predicts a correlation between v n and $\langle{p_t}\rangle$ that is similar to that measured in data. We show that the magnitude of this correlation can be directly predicted from the initial condition of the hydrodynamic calculation, for n = 2, 3, if one replaces v n by the corresponding initial-state anisotropy, ε n , and $\langle{p_t}\rangle$ by the total energy per unit rapidity of the fluid at the beginning of the hydrodynamic expansion.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1989

Interpretation and modeling of the averaged equations for a fluid-solid flow

A self-consistent derivation of the conservation laws is given for flows of a fluid-solid mixture. A unified analytical framework for obtaining constitutive relations is provided. This analysis uses a control volume/control surface approach that is widely used in fluid mechanics. All terms in the governing equations and the constitutive relations are written in terms of the mass-weighted averages except solid concentration. It is believed that the mass-weighted average is the natural bridge between micromechanics and constitutive relations. The derived momentum equations contain terms that differ from all existing models except that of Prosperetti and Jones (1984). However, their assumptions are not needed here. Special attention is given to the solid phase pressure. The physical basis of the previously assumed form for this pressure (Givler 1987) becomes clear. A number of related phenomena are also discussed. These include the anti-diffusion and anisotropic normal stresses. The energy equations are also different from existing models.

Shen, Hayley H.↗

NASA NTRS1976

Impact of composite plates: Analysis of stresses and forces

The foreign object damage resistance of composite fan blades was studied. Edge impact stresses in an anisotropic plate were first calculated incorporating a constrained layer damping model. It is shown that a very thin damping layer can dramatically decrease the maximum normal impact stresses. A multilayer model of a composite plate is then presented which allows computation of the interlaminar normal and shear stresses. Results are presented for the stresses due to a line impact load normal to the plane of a composite plate. It is shown that significant interlaminar tensile stresses can develop during impact. A computer code was developed for this problem using the fast Fourier transform. A marker and cell computer code were also used to investigate the hydrodynamic impact of a fluid slug against a wall or turbine blade. Application of fluid modeling of bird impact is reviewed.

Moon, F. C.↗

DOE OSTI2023

Fabric controls on fracture surface roughness of an architected rock material

Fluid flow through fractures is intimately linked to the fracture surfaces that define the void geometry through which fluids flow. Thus, an understanding of what controls fracture surface roughness is essential to the development of models for predicting fluid transport through fractured rock. The difficulty in predicting surface roughness arises from the complexity of rock which is inherently heterogeneous and nonuniform in composition, fabric, and structural components, even when samples are acquired from the same rock mass. Here, a benchmarked-simulation approach motivated from geo-architected 3D printed synthetic gypsum rocks is used to provide insight into the competing contributions from fabric and layering on fracture roughness formation. Simulation results from a discrete element model (Particle Flow Code, Itasca Consulting Group, Inc.) clearly indicate that the relative orientation between mineral layers and in-layer mineral fabric, and the variability in mineral bonding strengths determine whether anisotropic corrugated surfaces or isotropic surfaces are formed. Weak mineral layers oriented perpendicular to the applied load resulted in strong roughness anisotropy. Peak failure loads were found to vary up to 30% depending on the strength of the mineral fabric at the location of fracture initiation, which provides insight into the observed high variability in strength values of natural rock. The uniqueness of induced fracture roughness and peak failure load is intimately linked to layering, mineral fabric, and their distribution in the rock. These findings have important implications for any architected material fabricated through serial printing of layers with local compositional heterogeneity.

3D printed rock↗

DOE OSTI2025

Pore Resolved Simulations of Joule Heating in Fibrous Media using an Embedded Boundary Method

Joule heating has been regarded as an energy-efficient and sustainable method for heating materials and gases at large scales. The modeling of local temperature effects at pore-resolved scales for such systems, however, has been difficult to achieve due to challenges in coupling thermo-chemical processes in complex porous media and in large representative volume elements (RVEs). To this end, we developed an electro-thermal model at the pore scale to study Joule heating effects in large heterogeneous systems with different microstructures. This was achieved using the level set method to implicitly delineate distinct regions within the domain, and an embedded boundary method to facilitate heat exchange across the fluid-solid interface. Moreover, we applied this method to investigate unsteady non-linear electro-thermal effects in non-woven fibrous graphite conductors for RVEs with characteristic lengths of 2 mm, with different fiber orientations, porosity (80% – 90%) and fiber diameters (10 – 20µm). The coupled equations were solved numerically and they produced peak temperatures greater than 2000 K resulting in heating rates as high as 80,000 K/s. Moreover, the results depended strongly on the microstructure of the fiber skeleton and current density. Geometries with large fibers (∼ 20µm) had the highest average and peak temperatures with the mean temperature increasing by 3.9 % while the peak temperature increased by 9.9 %. Anisotropic domains on the other hand had the lowest mean and peak temperatures with peak and mean temperatures of 2293 K and 1437.7K respectively representing a corresponding 12.1% and 5.1% drop in the temperatures. An increase in porosity from 80% to 90%, however, led to an increase in the peak temperature by 5.1%.

Joule heating↗

NASA NTRS2003

Three-Dimensional Turbulent RANS Adjoint-Based Error Correction

Engineering problems commonly require functional outputs of computational fluid dynamics (CFD) simulations with specified accuracy. These simulations are performed with limited computational resources. Computable error estimates offer the possibility of quantifying accuracy on a given mesh and predicting a fine grid functional on a coarser mesh. Such an estimate can be computed by solving the flow equations and the associated adjoint problem for the functional of interest. An adjoint-based error correction procedure is demonstrated for transonic inviscid and subsonic laminar and turbulent flow. A mesh adaptation procedure is formulated to target uncertainty in the corrected functional and terminate when error remaining in the calculation is less than a user-specified error tolerance. This adaptation scheme is shown to yield anisotropic meshes with corrected functionals that are more accurate for a given number of grid points then isotropic adapted and uniformly refined grids.

Park, Michael A.↗

DOE OSTI2021

A comparative study of machine learning models for predicting the state of reactive mixing

Mixing phenomena are important mechanisms controlling flow, species transport, and reaction processes in fluids and porous media. Accurate predictions of reactive mixing are critical for many Earth and environmental science problems such as contaminant fate and remediation, macroalgae growth, and plankton biomass evolution. Here, to investigate the evolution of mixing dynamics under different scenarios (e.g., anisotropy, fluctuating velocity fields), a finite-element-based numerical model was built to solve the fast, irreversible bimolecular reaction-diffusion equations to simulate a range of reactive-mixing scenarios. A total of 2,315 simulations were performed using different sets of model input parameters comprising various spatial scales of vortex structures in the velocity field, time-scales associated with velocity oscillations, the perturbation parameter for the vortex-based velocity, anisotropic dispersion contrast (i.e., ratio of longitudinal-to-transverse dispersion), and molecular diffusion. The outputs comprised concentration profiles of reactants and products. The inputs to and outputs from these simulations were concatenated into feature and label matrices, respectively, to train 20 different machine learning (ML) models intended to emulate system behavior. These 20 ML emulators, based on linear methods, Bayesian methods, ensemble learning methods, and multilayer perceptrons (MLPs), were trained to classify the state of mixing and predict three quantities of interest (QoIs) characterizing species production, decay (i.e., average concentration, square of average concentration), and degree of mixing (i.e., variances of species concentration). Unsurprisingly, linear classifiers and regressors failed to reproduce the QoIs; however, ensemble methods (classifiers and regressors) and the MLP model accurately classified the state of reactive mixing and the QoIs. Among ensemble methods, random forest and decision-tree-based AdaBoost faithfully predicted the QoIs. At run time, trained ML emulators produced results times faster than the finite-element simulations. Due to their low computational expense and high accuracy, ensemble and MLP models are excellent emulators for these numerical simulations and great utilities in uncertainty quantification exercises, which can require 1,000s of forward model runs.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1999

Survey of Turbulence Models for the Computation of Turbulent Jet Flow and Noise

The report presents an overview of jet noise computation utilizing the computational fluid dynamic solution of the turbulent jet flow field. The jet flow solution obtained with an appropriate turbulence model provides the turbulence characteristics needed for the computation of jet mixing noise. A brief account of turbulence models that are relevant for the jet noise computation is presented. The jet flow solutions that have been directly used to calculate jet noise are first reviewed. Then, the turbulent jet flow studies that compute the turbulence characteristics that may be used for noise calculations are summarized. In particular, flow solutions obtained with the k-e model, algebraic Reynolds stress model, and Reynolds stress transport equation model are reviewed. Since, the small scale jet mixing noise predictions can be improved by utilizing anisotropic turbulence characteristics, turbulence models that can provide the Reynolds stress components must now be considered for jet flow computations. In this regard, algebraic stress models and Reynolds stress transport models are good candidates. Reynolds stress transport models involve more modeling and computational effort and time compared to algebraic stress models. Hence, it is recommended that an algebraic Reynolds stress model (ASM) be implemented in flow solvers to compute the Reynolds stress components.

Nallasamy, N.↗

NASA NTRS1984

Turbulent solutions of the equations of fluid motion

Some turbulent solutions of the unaveraged Navier-Stokes equations (equations of fluid motion) are reviewed. Those equations are solved numerically in order to study the nonlinear physics of incompressible turbulent flow. Initial three-dimensional cosine velocity fluctuations and periodic boundary conditions are used in most of the work considered. The three components of the mean-square velocity fluctuations are initially equal for the conditions chosen. The resulting solutions show characteristics of turbulence such as the linear and nonlinear excitation of small-scale fluctuations. For the stronger fluctuations, the initially nonrandom flow develops into an apparently random turbulence. Thus randomness or turbulence can arise as a consequence of the structure of the Navier-Stokes equations. The cases considered include turbulence which is statistically homogeneous or inhomogeneous and isotropic or anisotropic. A mean shear is present in some cases. A statistically steady-state turbulence is obtained by using a spatially periodic body force. Various turbulence processes, including the transfer of energy between eddy sizes and between directional components, and the production, dissipation, and spatial diffusion of turbulence, are considered. It is concluded that the physical processes occurring in turbulence can be profitably studied numerically.

Deissler, R. G.↗

DOE OSTI2020

Correlating inter-particle forces and particle shape to shear-induced aggregation/fragmentation and rheology for dilute anisotropic particle suspensions: A complementary study via capillary rheometry and in-situ small and ultra-small angle X-ray scattering

Predicting the stability of suspensions composed of anisotropic particles is difficult due to the complexity and interplay of hydrodynamic and colloidal forces. For example, it is not well understood how non-spherical particle shapes affect suspension-rheological responses. This study presents evidence showing how the stacking of boehmite platelets dispersed in aqueous solution leads to moderate shear thinning, even at low boehmite mass fractions. Wide angle X-ray, small angle X-ray, and ultra-small angle X-ray scattering were used to simultaneously monitor changes to the size and fractal dimensions of boehmite aggregates from 6 – 10,000 Å as the sample was recirculated through an in situ capillary rheometer. The latter also provided simultaneous measurements of the viscosity of the suspensions. Computational fluid dynamics modeling of the apparatus was used to provide a more rigorous analysis of the fluid flow. In addition to shear-induced aggregation/fragmentation correlated to a complicated balance between hydrodynamic and colloidal forces, the results indicate that orientationally-dependent interactions, arising from non-spherical boehmite aggregate sub-units, may explain the relatively large experimental viscosity when the hydrodynamic force is small compared to colloidal forces. Ultimately, the results from this study can provide a foundation for future work investigating particle shape effects on colloidal and hydrodynamics forces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1997

Annual Research Briefs

This report contains the 1997 annual progress reports of the research fellows and students supported by the Center for Turbulence Research (CTR). Titles include: Invariant modeling in large-eddy simulation of turbulence; Validation of large-eddy simulation in a plain asymmetric diffuser; Progress in large-eddy simulation of trailing-edge turbulence and aeronautics; Resolution requirements in large-eddy simulations of shear flows; A general theory of discrete filtering for LES in complex geometry; On the use of discrete filters for large eddy simulation; Wall models in large eddy simulation of separated flow; Perspectives for ensemble average LES; Anisotropic grid-based formulas for subgrid-scale models; Some modeling requirements for wall models in large eddy simulation; Numerical simulation of 3D turbulent boundary layers using the V2F model; Accurate modeling of impinging jet heat transfer; Application of turbulence models to high-lift airfoils; Advances in structure-based turbulence modeling; Incorporating realistic chemistry into direct numerical simulations of turbulent non-premixed combustion; Effects of small-scale structure on turbulent mixing; Turbulent premixed combustion in the laminar flamelet and the thin reaction zone regime; Large eddy simulation of combustion instabilities in turbulent premixed burners; On the generation of vorticity at a free-surface; Active control of turbulent channel flow; A generalized framework for robust control in fluid mechanics; Combined immersed-boundary/B-spline methods for simulations of flow in complex geometries; and DNS of shock boundary-layer interaction - preliminary results for compression ramp flow.

Spinks, Debra↗

NASA NTRS1995

Toward a theory of interstellar turbulence. 2: Strong alfvenic turbulence

We continue to investigate the possibility that interstellar turbulence is caused by nonlinear interactions among shear Alfven waves. Here, we restrict attention to the symmetric case where the oppositely directed waves carry equal energy fluxes. This precludes application to the solar wind in which the outward flux significantly exceeds the ingoing one. All our detailed calculations are carried out for an incompressible magnetized fluid. In incompressible magnetohydrodynamics (MHD), nonlinear interactions only occur between oppositely direct waves. We present a theory for the strong turbulence of shear Alfven waves. It has the following main characteristics. (1) The inertial-stage energy spectrum exhibits a critical balance between linear wave periods and nonlinear turnover timescales. (2) The 'eddies' are elongated in the direction of the field on small spatial scales; the parallel and perpendicular components of the wave vector, k(sub z) and k(perpendicular) are related by k(sub z) approximately equals k(sub perpendicular to)(exp 2/3) L(exp -1/3), where L is the outer scale of the turbulence. (3) The 'one-dimensional' energy spectrum is proportional to k(sub perpendicular)(exp -5/3)-an anisotropic Kolmogorov energy spectrum. Shear Alfvenic turbulence mixes specific entropy as a passive contaminant. This gives rise to an electron density power spectrum whose form mimics the energy spectrum of the turbulence. Radio wave scattering by these electron density fluctuations produces anisotropic scatter-broadened images. Damping by ion-neutral collisions restricts Alfvenic turbulence to highly ionized regions of the interstellar medium.

Goldreich, P.↗

DOE OSTI2024

Direct observation of a magnetic-field-induced Wigner crystal

Wigner predicted that when the Coulomb interactions between electrons become much stronger than their kinetic energy, electrons crystallize into a closely packed lattice. A variety of two-dimensional systems have shown evidence for Wigner crystals (WCs). However, a spontaneously formed classical or quantum WC has never been directly visualized. Neither the identification of the WC symmetry nor direct investigation of its melting has been accomplished. Here we use high-resolution scanning tunnelling microscopy measurements to directly image a magnetic-field-induced electron WC in Bernal-stacked bilayer graphene and examine its structural properties as a function of electron density, magnetic field and temperature. At high fields and the lowest temperature, we observe a triangular lattice electron WC in the lowest Landau level. The WC possesses the expected lattice constant and is robust between filling factor ν ≈ 0.13 and ν ≈ 0.38 except near fillings where it competes with fractional quantum Hall states. Increasing the density or temperature results in the melting of the WC into a liquid phase that is isotropic but has a modulated structure characterized by the Bragg wavevector of the WC. At low magnetic fields, the WC unexpectedly transitions into an anisotropic stripe phase, which has been commonly anticipated to form in higher Landau levels. Furthermore, analysis of individual lattice sites shows signatures that may be related to the quantum zero-point motion of electrons in the WC lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗